SCHEMBL12414966

SCHEMBL12414966

CCCCCN1/C(=C/C=C2\CCC(/C=C/C3=[N+](CCCCC)c4ccccc4C3(C)C)=C2N(Cc2ccc(I)cc2)C(=O)OC(C)(C)C)C(C)(C)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 4/20 0.42
HTR1A P08908 1/20 0.41
FOLR1 P15328 6/20 0.38
TLR2 O60603 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
S1PR2 O95136 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
ALPG P10696 1/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
XBP1 P17861 1/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4753490 0.91 HTR1A (0.40) PRMT1HTR1AFOLR1TLR2MEN1
SCHEMBL13100803 0.89 PRMT1 (0.42) PRMT1HTR1AFOLR1TLR2MEN1
SCHEMBL12414998 0.86 PRMT1 (0.47) PRMT1HTR1AFOLR1TLR2MEN1
SCHEMBL13100802 0.86 HTR1A (0.41) PRMT1HTR1AFOLR1TLR2MEN1
SCHEMBL13531857 0.84 HTR1A (0.47) PRMT1HTR1AFOLR1MEN1NPC1
SCHEMBL4753262 0.83 HTR1A (0.44) PRMT1HTR1AFOLR1PTPN1HRH2
SCHEMBL4753486 0.83 HTR1A (0.41) PRMT1HTR1AFOLR1TLR2MEN1
SCHEMBL15436366 0.82 HTR1A (0.46) PRMT1HTR1AFOLR1MEN1NPC1
SCHEMBL12056744 0.82 PRMT1 (0.42) PRMT1HTR1AFOLR1TLR2MEN1
SCHEMBL13100870 0.81 HTR1A (0.48) PRMT1HTR1AFOLR1MEN1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110165518-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2011-07-07 US disclosed